4,4-dimethylpiperidine

• ChemBase ID: 266869
• Molecular Formular: C7H15N
• Molecular Mass: 113.2007
• Monoisotopic Mass: 113.12044949
• SMILES: N1CCC(CC1)(C)C
• Canonical SMILES: CC1(C)CCNCC1
• InChI: InChI=1S/C7H15N/c1-7(2)3-5-8-6-4-7/h8H,3-6H2,1-2H3
• InChIKey: IECMOFZIMWVOAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,4-dimethylpiperidine
• IUPAC Traditional name: 4,4-dimethylpiperidine
• Synonyms: 4,4-dimethylpiperidine

Database IDs

• CAS Number: 4045-30-1
• MDL Number: MFCD04037433
• PubChem SID: 164322779
• PubChem CID: 138100

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.9864352
• LogD (pH = 7.4): -1.5144051
• Log P: 1.2445539
• Molar Refractivity: 35.8591 cm^3
• Polarizability: 14.445701 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.973

Product Information

• Purity: 95%; 98%